0 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 OC1=CC=C(Cl)C=C1 DB13154 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.3 OC1=CC=C(O)C=C1 DB09526 [0,0,0,0,0,0|0,0,0]=0 6 B7R1.3 CC1=CC=CC=C1 DB11558 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 CC1=CC=CC=N1 DB04874 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.3 IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.3 N=C1C=CNC=C1 DB06637 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|1,0,0]=2 12 B7R1.3 OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|0,0,0]=1 13 B7R1.3 SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.69 O=C1C=C(O)C(Cl)=CN1 DB09257 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,1,1,0,0,0|2,0,0]=4 27 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.2 OCC1=CC=CC=C1 DB06770 [1,1,0,0,0,0|0,0,0]=2 29 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,1,0,0,0,0|1,1,0]=4 31 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.4 OC1=CC=CC(O)=C1 DB11085 [1,1,0,0,0,0|0,0,0]=2 34 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.5 N=C1C=CNC=C1N DB11640 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.5 NC1=CC=CC=C1F DB02403 [1,1,0,0,0,0|1,0,0]=3 37 B8R1.5 NC1=CC=CC=C1O DB01726 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,1,0,0,0,0|0,0,0]=2 39 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,1,0,0,0,0|0,0,0]=2 40 B8R1.5 OC1=CC=CC=C1O DB02232 [1,1,0,0,0,0|0,0,0]=2 41 B8R1.5 [O-][N+]1=C(S)C=CC=C1 DB06815 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [0,2,0,0,0,0|1,0,0]=3 43 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,2,0,0,0,0|0,0,0]=2 48 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,2,0,0,0,0|0,0,1]=3 50 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 DB13269 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,2,0,0,0,0|1,0,0]=3 52 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.176 O=CC1=CC=C(O)C(O)=C1 DB11268 [0,2,0,0,0,0|0,0,1]=3 54 B10R1.22 CC1=CC(O)=CC(C)=C1Cl DB11121 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br DB02417 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.118 CC1=CC(N)=C(N)C=C1C DB03180 [0,2,0,0,0,0|2,0,0]=4 57 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,0,1,0|2,0,0]=4